SCHEMBL4247626

SCHEMBL4247626

O=C(c1ccccc1OC(F)F)N1CCC(Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.54
HCRTR2 O43614 8/20 0.45
SSTR5 P35346 2/20 0.43
MGLL Q99685 4/20 0.42
OPRK1 P41145 1/20 0.40
KDM5A P29375 1/20 0.38
LMNA P02545 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4247623 1.00 HCRTR1 (0.54) HCRTR1HCRTR2SSTR5MGLLOPRK1
SCHEMBL4245764 0.90 HCRTR1 (0.45) HCRTR1HCRTR2SSTR5MGLLOPRK1
SCHEMBL4245759 0.90 HCRTR1 (0.45) HCRTR1HCRTR2SSTR5MGLLOPRK1
SCHEMBL8224297 0.89 HCRTR2 (0.48) HCRTR1HCRTR2SSTR5MGLLKDM5A
SCHEMBL3658308 0.88 MGLL (0.50) HCRTR1HCRTR2SSTR5MGLLOPRK1
SCHEMBL4241791 0.88 MGLL (0.50) HCRTR1HCRTR2SSTR5MGLLOPRK1
SCHEMBL4247535 0.87 HCRTR2 (0.47) HCRTR1HCRTR2SSTR5MGLLOPRK1
SCHEMBL8226100 0.87 HCRTR2 (0.47) HCRTR1HCRTR2SSTR5MGLLOPRK1
SCHEMBL4247538 0.87 HCRTR2 (0.47) HCRTR1HCRTR2SSTR5MGLLOPRK1
SCHEMBL4243123 0.87 HCRTR2 (0.60) HCRTR1HCRTR2SSTR5KDM5ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US claimed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US claimed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A HCRTR1 1/4885HCRTR2 2/4885SSTR5 248/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.